Cas no 13137-26-3 (Adenine,9-(2-amino-2,5-dideoxy-b-D-xylofuranosyl)- (8CI))
13137-26-3 structure
Product Name:Adenine,9-(2-amino-2,5-dideoxy-b-D-xylofuranosyl)- (8CI)
CAS No:13137-26-3
MF:C10H14N6O2
MW:250.257160663605
CID:225831
PubChem ID:265287
Update Time:2025-04-19
Adenine,9-(2-amino-2,5-dideoxy-b-D-xylofuranosyl)- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenine,9-(2-amino-2,5-dideoxy-b-D-xylofuranosyl)- (8CI)
- 13137-26-3
- NSC-101153
- DTXSID30927170
- SCHEMBL6671403
- 9-(2-amino-2,5-dideoxypentofuranosyl)-9h-purin-6-amine
- NSC101153
-
- Inchi： 1S/C10H14N6O2/c1-4-7(17)5(11)10(18-4)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,11H2,1H3,(H2,12,13,14)
- InChI Key： GIOGIMBKCHTPIA-UHFFFAOYSA-N
- SMILES： O1C(C)C(C(C1N1C=NC2C(N)=NC=NC1=2)N)O
Computed Properties
- Exact Mass: 250.11802
- Monoisotopic Mass: 250.118
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 319
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.8
- Topological Polar Surface Area: 125?2
Experimental Properties
- Density: 1.93
- Boiling Point: 579.3°C at 760 mmHg
- Flash Point: 304.2°C
- Refractive Index: 1.894
- PSA: 125.1
- LogP: 0.29550
Adenine,9-(2-amino-2,5-dideoxy-b-D-xylofuranosyl)- (8CI) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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